N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine

C13H27NO2 — CID 65080149

IUPACN-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
SMILESCOC(OC)C(C)NC1CCCC(C)CC1
InChIInChI=1S/C13H27NO2/c1-10-6-5-7-12(9-8-10)14-11(2)13(15-3)16-4/h10-14H,5-9H2,1-4H3
InChIKeyKIBXAPBBBFOKHP-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.55
Rot. Bonds5

About N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine

N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine (PubChem CID 65080149) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
PubChem CID65080149
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
SMILESCOC(OC)C(C)NC1CCCC(C)CC1
InChIInChI=1S/C13H27NO2/c1-10-6-5-7-12(9-8-10)14-11(2)13(15-3)16-4/h10-14H,5-9H2,1-4H3
InChIKeyKIBXAPBBBFOKHP-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine
CID 102795157
N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091481
N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64753219
N-(3-methoxybutan-2-yl)cyclobutanamine
CID 115889558
N-[(2R)-3-methoxybutan-2-yl]cyclobutanamine
CID 131222697
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
3-N-(4-methylcyclohexyl)butane-2,3-diamine
CID 130573950
4-methyl-N-pentan-3-ylcycloheptan-1-amine
CID 65081260
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81370708
3-[(4-methylcycloheptyl)amino]butanenitrile
CID 102795029
N-cyclopentyl-4-methylcycloheptan-1-amine
CID 65081210
4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
CID 65079779

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine (CID 65080149) is N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine is COC(OC)C(C)NC1CCCC(C)CC1.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine?
The InChIKey is KIBXAPBBBFOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10-6-5-7-12(9-8-10)14-11(2)13(15-3)16-4/h10-14H,5-9H2,1-4H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine?
N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65080149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).